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Untargeted Metabolomics from Biological Sources Using Ultraperformance Liquid Chromatography-High Resolution Mass Spectrometry UPLC-HRMS
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Untargeted Metabolomics Workshop Report: Quality Control Considerations from Sample Preparation to Data Analysis.

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Summary

This review addresses common challenges in untargeted metabolomics for new researchers. It offers practical guidelines and resources for experimental design, quality control, and data analysis using liquid chromatography-mass spectrometry (LC-MS).

Keywords:
LC-MS/MS analysisquality controluntargeted metabolomicsworkshop report

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Area of Science:

  • Metabolomics
  • Analytical Chemistry
  • Biochemistry

Background:

  • The Proteomics Society, India (PSI) organized a workshop on untargeted metabolomics in December 2019.
  • The workshop focused on experimental and data analysis training, particularly for liquid chromatography-mass spectrometry (LC-MS) workflows.
  • Key challenges for novice researchers were identified as experimental design, quality control, and data evaluation.

Purpose of the Study:

  • To present common challenges faced by new researchers in untargeted metabolomics.
  • To provide guidelines and best practices for establishing metabolomics workflows.
  • To offer resources for improving experimental design, quality control, and data analysis.

Main Methods:

  • Review of tutorial lectures and hands-on data analysis sessions from the PSI workshop.
  • Focus on liquid chromatography-mass spectrometry (LC-MS) based untargeted metabolomics.
  • Identification and discussion of bottlenecks in experimental design, quality control, and data quality evaluation.

Main Results:

  • Common challenges in untargeted metabolomics for new researchers were identified.
  • Guidelines for addressing experimental design, quality control (sample preparation and instrumental analysis), and data quality evaluation were presented.
  • Resources and good practices for setting up metabolomics workflows were compiled.

Conclusions:

  • Novice researchers encounter specific challenges in untargeted metabolomics.
  • Adherence to good practices in experimental design, quality control, and data analysis is crucial.
  • This review provides a valuable resource for researchers establishing metabolomics laboratories and workflows.